2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C24H22N4O4 — CID 92733229

IUPAC2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(-n2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c3cccnc32)cc1
InChIInChI=1S/C24H22N4O4/c1-16(17-7-4-3-5-8-17)26-21(29)15-27-23(30)20-9-6-14-25-22(20)28(24(27)31)18-10-12-19(32-2)13-11-18/h3-14,16H,15H2,1-2H3,(H,26,29)/t16-/m0/s1
InChIKeySSERZXRDVNCPLU-INIZCTEOSA-N
MW430.46 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 92733229) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID92733229
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccc(-n2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c3cccnc32)cc1
InChIInChI=1S/C24H22N4O4/c1-16(17-7-4-3-5-8-17)26-21(29)15-27-23(30)20-9-6-14-25-22(20)28(24(27)31)18-10-12-19(32-2)13-11-18/h3-14,16H,15H2,1-2H3,(H,26,29)/t16-/m0/s1
InChIKeySSERZXRDVNCPLU-INIZCTEOSA-N
XLogP2.43
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841493
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 95097083
N-(3-chloro-2-methylphenyl)-2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 50811413
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 71841413
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 98235517
2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 53200902
2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
CID 25238617
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
methyl 1,7-dimethyl-2,4-dioxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 92733229) is 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide is COc1ccc(-n2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c(=O)c3cccnc32)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is SSERZXRDVNCPLU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16(17-7-4-3-5-8-17)26-21(29)15-27-23(30)20-9-6-14-25-22(20)28(24(27)31)18-10-12-19(32-2)13-11-18/h3-14,16H,15H2,1-2H3,(H,26,29)/t16-/m0/s1.
What are the key properties of 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 92733229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).